catena-Poly[[[aquacopper(II)]bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide]] bis(tetrafluoridoborate) bis(triphenylphosphine oxide) monohydrate]

The title compound, {[Cu(C10H14N4Se)2(H2O)](BF4)2·2C18H15PO·H2O}n, has a polymeric structure where each CuII ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water molecule. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridges the CuII centres into a chain extending along the c axis. The water molecules, anions and triphenylphosphine oxide molecules are involved in intermolecular hydrogen bonding, which links the chains into a three-dimensional network.

The title compound, {[Cu(C 10 H 14 N 4 Se) 2 (H 2 O)](BF 4 ) 2 Á-2C 18 H 15 POÁH 2 O} n , has a polymeric structure where each Cu II ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water molecule. A pair of bis(3,5dimethyl-1H-pyrazol-4-yl) selenide ligands bridges the Cu II centres into a chain extending along the c axis. The water molecules, anions and triphenylphosphine oxide molecules are involved in intermolecular hydrogen bonding, which links the chains into a three-dimensional network.

catena-Poly
A pyramidal environment of the Cu II ion is constituted by four non-coplanar N atoms of pyrazolyl cycles (distances Cu-N are 1.997 (2) and 2.040 (2) Å, distance Cu-O is 2.222 (2) Å). Symmetrically equivalent ligand molecules in cis-bonding configuration are linked to Cu II ion in a double-stranded bridge fashion (Fig. 1). Formed one-dimensional linear chain is running along the c axis where each Cu atom deviates from the average position by a value of ±0.279 (0) Å (Fig. 2). One of the pyrazole cycles of the ligand molecule is involved in hydrogen bonding with F atom of the tetrafluoroborate anion (N···F 2.861 (3) Å) which additionally forms a hydrogen bond with the free water molecule (F···OW 3.002 (3) Å). Further, the coordinated water molecule is connected through hydrogen bonds with the free water molecule (O···OW 2.785 (3) Å) and the Ph 3 PO molecule (O···O 3.115 (3) Å).

Refinement
The H atoms were located from the difference Fourier map and were constrained to ride on their parent atoms with U iso = 1.2-1.5U eq (parent atom). The highest peak is located 0.90 Å from atom F3 and the deepest hole is located 0.67 Å from atom F2.

Special details
Experimental. The H atoms were located from the difference Fourier map and were constrained to ride on their parent atoms with U iso = 1.2-1.5U eq (parent atom). The highest peak is located 0.90 Å from atom F3 and the deepest hole is located 0.67 Å from atom F2.
Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix.